USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 277 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0558) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0.154 K(o=0.15,f=-1.1) USER MOD Single : A 53 GLN : amide:sc= -0.0737 X(o=-0.074,f=-0.074) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -137:sc= 0.256 USER MOD Single : A 63 SER OG : rot 162:sc= 0.957 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 163:sc= 0.501 (180deg=0.311) USER MOD Single : A 75 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 37 23.025 36.515 16.922 1.00 20.00 N ATOM 2 CA LEU A 37 23.951 36.285 15.796 1.00 20.00 C ATOM 3 C LEU A 37 24.820 35.032 15.989 1.00 20.00 C ATOM 4 O LEU A 37 24.927 34.234 15.057 1.00 20.00 O ATOM 5 CB LEU A 37 24.726 37.553 15.397 1.00 20.00 C ATOM 6 CG LEU A 37 25.895 37.998 16.294 1.00 20.00 C ATOM 7 CD1 LEU A 37 26.559 39.243 15.681 1.00 20.00 C ATOM 8 CD2 LEU A 37 25.492 38.339 17.737 1.00 20.00 C ATOM 0 HA LEU A 37 23.339 36.057 14.924 1.00 20.00 H new ATOM 0 HB2 LEU A 37 25.116 37.403 14.390 1.00 20.00 H new ATOM 0 HB3 LEU A 37 24.014 38.377 15.344 1.00 20.00 H new ATOM 0 HG LEU A 37 26.573 37.146 16.342 1.00 20.00 H new ATOM 0 HD11 LEU A 37 27.388 39.562 16.313 1.00 20.00 H new ATOM 0 HD12 LEU A 37 26.933 39.003 14.686 1.00 20.00 H new ATOM 0 HD13 LEU A 37 25.827 40.048 15.609 1.00 20.00 H new ATOM 0 HD21 LEU A 37 26.375 38.643 18.299 1.00 20.00 H new ATOM 0 HD22 LEU A 37 24.768 39.154 17.730 1.00 20.00 H new ATOM 0 HD23 LEU A 37 25.046 37.462 18.207 1.00 20.00 H new ATOM 20 N THR A 38 25.438 34.849 17.166 1.00 20.00 N ATOM 21 CA THR A 38 26.323 33.719 17.484 1.00 20.00 C ATOM 22 C THR A 38 25.533 32.458 17.874 1.00 20.00 C ATOM 23 O THR A 38 24.312 32.498 18.038 1.00 20.00 O ATOM 24 CB THR A 38 27.318 34.101 18.601 1.00 20.00 C ATOM 25 OG1 THR A 38 26.651 34.265 19.832 1.00 20.00 O ATOM 26 CG2 THR A 38 28.120 35.373 18.302 1.00 20.00 C ATOM 0 H THR A 38 25.333 35.501 17.943 1.00 20.00 H new ATOM 0 HA THR A 38 26.884 33.485 16.579 1.00 20.00 H new ATOM 0 HB THR A 38 28.024 33.272 18.655 1.00 20.00 H new ATOM 0 HG1 THR A 38 27.300 34.505 20.526 1.00 20.00 H new ATOM 0 HG21 THR A 38 28.798 35.579 19.130 1.00 20.00 H new ATOM 0 HG22 THR A 38 28.697 35.233 17.388 1.00 20.00 H new ATOM 0 HG23 THR A 38 27.437 36.213 18.175 1.00 20.00 H new ATOM 34 N GLY A 39 26.267 31.349 18.056 1.00 20.00 N ATOM 35 CA GLY A 39 25.746 30.055 18.485 1.00 20.00 C ATOM 36 C GLY A 39 26.627 29.461 19.588 1.00 20.00 C ATOM 37 O GLY A 39 26.728 30.030 20.677 1.00 20.00 O ATOM 0 H GLY A 39 27.275 31.335 17.901 1.00 20.00 H new ATOM 0 HA2 GLY A 39 24.725 30.170 18.849 1.00 20.00 H new ATOM 0 HA3 GLY A 39 25.707 29.373 17.636 1.00 20.00 H new ATOM 41 N CYS A 40 27.281 28.330 19.292 1.00 20.00 N ATOM 42 CA CYS A 40 28.146 27.593 20.210 1.00 20.00 C ATOM 43 C CYS A 40 29.477 27.231 19.537 1.00 20.00 C ATOM 44 O CYS A 40 29.616 27.337 18.317 1.00 20.00 O ATOM 45 CB CYS A 40 27.409 26.339 20.710 1.00 20.00 C ATOM 46 SG CYS A 40 25.954 26.629 21.768 1.00 20.00 S ATOM 0 H CYS A 40 27.217 27.891 18.373 1.00 20.00 H new ATOM 0 HA CYS A 40 28.382 28.224 21.067 1.00 20.00 H new ATOM 0 HB2 CYS A 40 27.092 25.759 19.843 1.00 20.00 H new ATOM 0 HB3 CYS A 40 28.118 25.723 21.263 1.00 20.00 H new ATOM 51 N LYS A 41 30.447 26.792 20.350 1.00 20.00 N ATOM 52 CA LYS A 41 31.839 26.541 19.964 1.00 20.00 C ATOM 53 C LYS A 41 32.329 25.140 20.365 1.00 20.00 C ATOM 54 O LYS A 41 33.301 24.656 19.785 1.00 20.00 O ATOM 55 CB LYS A 41 32.752 27.599 20.618 1.00 20.00 C ATOM 56 CG LYS A 41 32.457 29.068 20.269 1.00 20.00 C ATOM 57 CD LYS A 41 32.744 29.410 18.797 1.00 20.00 C ATOM 58 CE LYS A 41 32.482 30.890 18.482 1.00 20.00 C ATOM 59 NZ LYS A 41 33.433 31.789 19.172 1.00 20.00 N ATOM 0 H LYS A 41 30.274 26.594 21.336 1.00 20.00 H new ATOM 0 HA LYS A 41 31.884 26.603 18.877 1.00 20.00 H new ATOM 0 HB2 LYS A 41 32.686 27.485 21.700 1.00 20.00 H new ATOM 0 HB3 LYS A 41 33.782 27.382 20.337 1.00 20.00 H new ATOM 0 HG2 LYS A 41 31.411 29.284 20.488 1.00 20.00 H new ATOM 0 HG3 LYS A 41 33.057 29.715 20.909 1.00 20.00 H new ATOM 0 HD2 LYS A 41 33.782 29.170 18.566 1.00 20.00 H new ATOM 0 HD3 LYS A 41 32.122 28.788 18.154 1.00 20.00 H new ATOM 0 HE2 LYS A 41 32.552 31.048 17.406 1.00 20.00 H new ATOM 0 HE3 LYS A 41 31.464 31.147 18.776 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 33.282 32.767 18.851 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 33.279 31.735 20.199 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 34.407 31.499 18.952 1.00 20.00 H new ATOM 73 N GLY A 42 31.675 24.497 21.348 1.00 20.00 N ATOM 74 CA GLY A 42 32.016 23.167 21.856 1.00 20.00 C ATOM 75 C GLY A 42 33.167 23.139 22.873 1.00 20.00 C ATOM 76 O GLY A 42 33.280 22.162 23.613 1.00 20.00 O ATOM 0 H GLY A 42 30.870 24.906 21.822 1.00 20.00 H new ATOM 0 HA2 GLY A 42 31.130 22.733 22.320 1.00 20.00 H new ATOM 0 HA3 GLY A 42 32.280 22.529 21.013 1.00 20.00 H new ATOM 80 N LYS A 43 34.021 24.182 22.912 1.00 20.00 N ATOM 81 CA LYS A 43 35.162 24.280 23.820 1.00 20.00 C ATOM 82 C LYS A 43 34.710 24.515 25.269 1.00 20.00 C ATOM 83 O LYS A 43 35.211 23.842 26.170 1.00 20.00 O ATOM 84 CB LYS A 43 36.096 25.427 23.386 1.00 20.00 C ATOM 85 CG LYS A 43 36.989 25.035 22.202 1.00 20.00 C ATOM 86 CD LYS A 43 38.021 26.148 21.929 1.00 20.00 C ATOM 87 CE LYS A 43 39.053 25.741 20.871 1.00 20.00 C ATOM 88 NZ LYS A 43 38.465 25.621 19.524 1.00 20.00 N ATOM 0 H LYS A 43 33.927 24.991 22.298 1.00 20.00 H new ATOM 0 HA LYS A 43 35.698 23.332 23.774 1.00 20.00 H new ATOM 0 HB2 LYS A 43 35.498 26.297 23.114 1.00 20.00 H new ATOM 0 HB3 LYS A 43 36.722 25.721 24.228 1.00 20.00 H new ATOM 0 HG2 LYS A 43 37.501 24.097 22.417 1.00 20.00 H new ATOM 0 HG3 LYS A 43 36.378 24.868 21.315 1.00 20.00 H new ATOM 0 HD2 LYS A 43 37.502 27.048 21.599 1.00 20.00 H new ATOM 0 HD3 LYS A 43 38.535 26.399 22.857 1.00 20.00 H new ATOM 0 HE2 LYS A 43 39.856 26.478 20.849 1.00 20.00 H new ATOM 0 HE3 LYS A 43 39.502 24.789 21.154 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 39.204 25.344 18.846 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 37.717 24.899 19.535 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 38.059 26.535 19.240 1.00 20.00 H new ATOM 102 N GLY A 44 33.797 25.472 25.491 1.00 20.00 N ATOM 103 CA GLY A 44 33.331 25.903 26.804 1.00 20.00 C ATOM 104 C GLY A 44 31.834 26.211 26.870 1.00 20.00 C ATOM 105 O GLY A 44 31.377 26.722 27.893 1.00 20.00 O ATOM 0 H GLY A 44 33.351 25.982 24.729 1.00 20.00 H new ATOM 0 HA2 GLY A 44 33.563 25.126 27.532 1.00 20.00 H new ATOM 0 HA3 GLY A 44 33.887 26.793 27.100 1.00 20.00 H new ATOM 109 N GLY A 45 31.074 25.901 25.808 1.00 20.00 N ATOM 110 CA GLY A 45 29.622 26.011 25.788 1.00 20.00 C ATOM 111 C GLY A 45 28.948 24.945 26.656 1.00 20.00 C ATOM 112 O GLY A 45 29.604 24.049 27.194 1.00 20.00 O ATOM 0 H GLY A 45 31.465 25.562 24.929 1.00 20.00 H new ATOM 0 HA2 GLY A 45 29.330 27.001 26.139 1.00 20.00 H new ATOM 0 HA3 GLY A 45 29.267 25.919 24.762 1.00 20.00 H new ATOM 116 N GLU A 46 27.621 25.056 26.780 1.00 20.00 N ATOM 117 CA GLU A 46 26.809 24.200 27.639 1.00 20.00 C ATOM 118 C GLU A 46 25.557 23.705 26.924 1.00 20.00 C ATOM 119 O GLU A 46 24.861 24.460 26.239 1.00 20.00 O ATOM 120 CB GLU A 46 26.400 24.950 28.915 1.00 20.00 C ATOM 121 CG GLU A 46 27.573 25.141 29.880 1.00 20.00 C ATOM 122 CD GLU A 46 27.090 25.747 31.195 1.00 20.00 C ATOM 123 OE1 GLU A 46 26.941 26.997 31.228 1.00 20.00 O ATOM 124 OE2 GLU A 46 26.851 24.972 32.138 1.00 20.00 O ATOM 0 H GLU A 46 27.076 25.756 26.276 1.00 20.00 H new ATOM 0 HA GLU A 46 27.421 23.336 27.900 1.00 20.00 H new ATOM 0 HB2 GLU A 46 25.992 25.924 28.646 1.00 20.00 H new ATOM 0 HB3 GLU A 46 25.605 24.399 29.418 1.00 20.00 H new ATOM 0 HG2 GLU A 46 28.055 24.182 30.070 1.00 20.00 H new ATOM 0 HG3 GLU A 46 28.322 25.790 29.427 1.00 20.00 H new ATOM 131 N CYS A 47 25.251 22.429 27.175 1.00 20.00 N ATOM 132 CA CYS A 47 23.968 21.820 26.880 1.00 20.00 C ATOM 133 C CYS A 47 22.950 22.233 27.952 1.00 20.00 C ATOM 134 O CYS A 47 23.287 22.359 29.131 1.00 20.00 O ATOM 135 CB CYS A 47 24.137 20.299 26.850 1.00 20.00 C ATOM 136 SG CYS A 47 22.648 19.440 26.308 1.00 20.00 S ATOM 0 H CYS A 47 25.913 21.780 27.601 1.00 20.00 H new ATOM 0 HA CYS A 47 23.603 22.155 25.909 1.00 20.00 H new ATOM 0 HB2 CYS A 47 24.961 20.043 26.184 1.00 20.00 H new ATOM 0 HB3 CYS A 47 24.411 19.949 27.845 1.00 20.00 H new ATOM 141 N ASN A 48 21.698 22.423 27.524 1.00 20.00 N ATOM 142 CA ASN A 48 20.570 22.895 28.319 1.00 20.00 C ATOM 143 C ASN A 48 19.277 22.194 27.860 1.00 20.00 C ATOM 144 O ASN A 48 19.247 21.620 26.771 1.00 20.00 O ATOM 145 CB ASN A 48 20.473 24.424 28.138 1.00 20.00 C ATOM 146 CG ASN A 48 21.441 25.176 29.052 1.00 20.00 C ATOM 147 OD1 ASN A 48 21.102 25.487 30.191 1.00 20.00 O ATOM 148 ND2 ASN A 48 22.645 25.484 28.571 1.00 20.00 N ATOM 0 H ASN A 48 21.434 22.239 26.556 1.00 20.00 H new ATOM 0 HA ASN A 48 20.711 22.661 29.374 1.00 20.00 H new ATOM 0 HB2 ASN A 48 20.684 24.679 27.100 1.00 20.00 H new ATOM 0 HB3 ASN A 48 19.453 24.749 28.345 1.00 20.00 H new ATOM 0 HD21 ASN A 48 23.312 25.991 29.153 1.00 20.00 H new ATOM 0 HD22 ASN A 48 22.899 25.213 27.621 1.00 20.00 H new ATOM 155 N PRO A 49 18.182 22.252 28.647 1.00 20.00 N ATOM 156 CA PRO A 49 16.874 21.769 28.209 1.00 20.00 C ATOM 157 C PRO A 49 16.282 22.699 27.137 1.00 20.00 C ATOM 158 O PRO A 49 16.716 23.840 26.966 1.00 20.00 O ATOM 159 CB PRO A 49 16.013 21.739 29.478 1.00 20.00 C ATOM 160 CG PRO A 49 16.607 22.848 30.340 1.00 20.00 C ATOM 161 CD PRO A 49 18.094 22.781 30.007 1.00 20.00 C ATOM 0 HA PRO A 49 16.929 20.784 27.746 1.00 20.00 H new ATOM 0 HB2 PRO A 49 14.962 21.924 29.254 1.00 20.00 H new ATOM 0 HB3 PRO A 49 16.067 20.771 29.976 1.00 20.00 H new ATOM 0 HG2 PRO A 49 16.182 23.821 30.095 1.00 20.00 H new ATOM 0 HG3 PRO A 49 16.423 22.677 31.401 1.00 20.00 H new ATOM 0 HD2 PRO A 49 18.553 23.768 30.072 1.00 20.00 H new ATOM 0 HD3 PRO A 49 18.622 22.137 30.710 1.00 20.00 H new ATOM 169 N LEU A 50 15.248 22.211 26.440 1.00 20.00 N ATOM 170 CA LEU A 50 14.444 22.983 25.490 1.00 20.00 C ATOM 171 C LEU A 50 13.681 24.111 26.200 1.00 20.00 C ATOM 172 O LEU A 50 13.480 25.178 25.623 1.00 20.00 O ATOM 173 CB LEU A 50 13.451 22.043 24.796 1.00 20.00 C ATOM 174 CG LEU A 50 14.133 20.925 23.985 1.00 20.00 C ATOM 175 CD1 LEU A 50 13.134 19.780 23.806 1.00 20.00 C ATOM 176 CD2 LEU A 50 14.627 21.422 22.623 1.00 20.00 C ATOM 0 H LEU A 50 14.941 21.242 26.525 1.00 20.00 H new ATOM 0 HA LEU A 50 15.109 23.436 24.755 1.00 20.00 H new ATOM 0 HB2 LEU A 50 12.802 21.593 25.547 1.00 20.00 H new ATOM 0 HB3 LEU A 50 12.813 22.626 24.132 1.00 20.00 H new ATOM 0 HG LEU A 50 15.012 20.582 24.530 1.00 20.00 H new ATOM 0 HD11 LEU A 50 13.599 18.978 23.233 1.00 20.00 H new ATOM 0 HD12 LEU A 50 12.835 19.402 24.784 1.00 20.00 H new ATOM 0 HD13 LEU A 50 12.255 20.144 23.273 1.00 20.00 H new ATOM 0 HD21 LEU A 50 15.101 20.600 22.086 1.00 20.00 H new ATOM 0 HD22 LEU A 50 13.782 21.795 22.044 1.00 20.00 H new ATOM 0 HD23 LEU A 50 15.350 22.225 22.769 1.00 20.00 H new ATOM 188 N ASP A 51 13.290 23.868 27.460 1.00 20.00 N ATOM 189 CA ASP A 51 12.611 24.811 28.350 1.00 20.00 C ATOM 190 C ASP A 51 13.474 26.015 28.759 1.00 20.00 C ATOM 191 O ASP A 51 12.928 26.988 29.278 1.00 20.00 O ATOM 192 CB ASP A 51 12.138 24.059 29.603 1.00 20.00 C ATOM 193 CG ASP A 51 11.249 22.862 29.257 1.00 20.00 C ATOM 194 OD1 ASP A 51 10.085 23.094 28.883 1.00 20.00 O ATOM 195 OD2 ASP A 51 11.765 21.719 29.367 1.00 20.00 O ATOM 0 H ASP A 51 13.448 22.963 27.904 1.00 20.00 H new ATOM 0 HA ASP A 51 11.769 25.222 27.794 1.00 20.00 H new ATOM 0 HB2 ASP A 51 13.005 23.715 30.167 1.00 20.00 H new ATOM 0 HB3 ASP A 51 11.588 24.743 30.249 1.00 20.00 H new ATOM 200 N ARG A 52 14.792 25.980 28.510 1.00 20.00 N ATOM 201 CA ARG A 52 15.713 27.083 28.765 1.00 20.00 C ATOM 202 C ARG A 52 15.383 28.266 27.848 1.00 20.00 C ATOM 203 O ARG A 52 15.250 28.086 26.636 1.00 20.00 O ATOM 204 CB ARG A 52 17.151 26.604 28.512 1.00 20.00 C ATOM 205 CG ARG A 52 18.231 27.585 28.977 1.00 20.00 C ATOM 206 CD ARG A 52 18.379 27.526 30.502 1.00 20.00 C ATOM 207 NE ARG A 52 19.678 28.054 30.928 1.00 20.00 N ATOM 208 CZ ARG A 52 19.984 29.332 31.192 1.00 20.00 C ATOM 209 NH1 ARG A 52 19.065 30.299 31.137 1.00 20.00 N ATOM 210 NH2 ARG A 52 21.236 29.648 31.515 1.00 20.00 N ATOM 0 H ARG A 52 15.252 25.160 28.116 1.00 20.00 H new ATOM 0 HA ARG A 52 15.614 27.409 29.800 1.00 20.00 H new ATOM 0 HB2 ARG A 52 17.299 25.651 29.020 1.00 20.00 H new ATOM 0 HB3 ARG A 52 17.278 26.420 27.445 1.00 20.00 H new ATOM 0 HG2 ARG A 52 19.182 27.342 28.502 1.00 20.00 H new ATOM 0 HG3 ARG A 52 17.970 28.597 28.669 1.00 20.00 H new ATOM 0 HD2 ARG A 52 17.579 28.099 30.970 1.00 20.00 H new ATOM 0 HD3 ARG A 52 18.273 26.495 30.841 1.00 20.00 H new ATOM 0 HE ARG A 52 20.431 27.375 31.035 1.00 20.00 H new ATOM 0 HH11 ARG A 52 18.102 30.074 30.889 1.00 20.00 H new ATOM 0 HH12 ARG A 52 19.326 31.263 31.343 1.00 20.00 H new ATOM 0 HH21 ARG A 52 21.950 28.921 31.559 1.00 20.00 H new ATOM 0 HH22 ARG A 52 21.481 30.617 31.718 1.00 20.00 H new ATOM 224 N GLN A 53 15.314 29.475 28.430 1.00 20.00 N ATOM 225 CA GLN A 53 15.205 30.746 27.711 1.00 20.00 C ATOM 226 C GLN A 53 16.548 31.090 27.057 1.00 20.00 C ATOM 227 O GLN A 53 17.326 31.890 27.578 1.00 20.00 O ATOM 228 CB GLN A 53 14.730 31.858 28.666 1.00 20.00 C ATOM 229 CG GLN A 53 13.234 31.762 28.997 1.00 20.00 C ATOM 230 CD GLN A 53 12.364 32.218 27.823 1.00 20.00 C ATOM 231 OE1 GLN A 53 12.270 33.410 27.547 1.00 20.00 O ATOM 232 NE2 GLN A 53 11.722 31.288 27.118 1.00 20.00 N ATOM 0 H GLN A 53 15.333 29.593 29.443 1.00 20.00 H new ATOM 0 HA GLN A 53 14.462 30.656 26.919 1.00 20.00 H new ATOM 0 HB2 GLN A 53 15.306 31.807 29.590 1.00 20.00 H new ATOM 0 HB3 GLN A 53 14.936 32.829 28.216 1.00 20.00 H new ATOM 0 HG2 GLN A 53 12.984 30.733 29.257 1.00 20.00 H new ATOM 0 HG3 GLN A 53 13.015 32.374 29.872 1.00 20.00 H new ATOM 0 HE21 GLN A 53 11.816 30.303 27.367 1.00 20.00 H new ATOM 0 HE22 GLN A 53 11.136 31.560 26.329 1.00 20.00 H new ATOM 241 N CYS A 54 16.814 30.450 25.913 1.00 20.00 N ATOM 242 CA CYS A 54 18.022 30.616 25.119 1.00 20.00 C ATOM 243 C CYS A 54 17.784 30.142 23.675 1.00 20.00 C ATOM 244 O CYS A 54 16.729 29.595 23.344 1.00 20.00 O ATOM 245 CB CYS A 54 19.161 29.838 25.796 1.00 20.00 C ATOM 246 SG CYS A 54 20.832 30.348 25.342 1.00 20.00 S ATOM 0 H CYS A 54 16.164 29.778 25.505 1.00 20.00 H new ATOM 0 HA CYS A 54 18.298 31.669 25.065 1.00 20.00 H new ATOM 0 HB2 CYS A 54 19.052 29.936 26.876 1.00 20.00 H new ATOM 0 HB3 CYS A 54 19.046 28.780 25.558 1.00 20.00 H new ATOM 251 N LYS A 55 18.796 30.345 22.823 1.00 20.00 N ATOM 252 CA LYS A 55 18.836 29.956 21.410 1.00 20.00 C ATOM 253 C LYS A 55 18.859 28.426 21.229 1.00 20.00 C ATOM 254 O LYS A 55 18.915 27.673 22.201 1.00 20.00 O ATOM 255 CB LYS A 55 20.061 30.629 20.749 1.00 20.00 C ATOM 256 CG LYS A 55 19.699 31.596 19.613 1.00 20.00 C ATOM 257 CD LYS A 55 19.114 30.898 18.375 1.00 20.00 C ATOM 258 CE LYS A 55 19.027 31.836 17.164 1.00 20.00 C ATOM 259 NZ LYS A 55 18.021 32.898 17.349 1.00 20.00 N ATOM 0 H LYS A 55 19.655 30.810 23.118 1.00 20.00 H new ATOM 0 HA LYS A 55 17.924 30.298 20.920 1.00 20.00 H new ATOM 0 HB2 LYS A 55 20.621 31.172 21.511 1.00 20.00 H new ATOM 0 HB3 LYS A 55 20.722 29.855 20.358 1.00 20.00 H new ATOM 0 HG2 LYS A 55 18.978 32.325 19.983 1.00 20.00 H new ATOM 0 HG3 LYS A 55 20.591 32.150 19.320 1.00 20.00 H new ATOM 0 HD2 LYS A 55 19.731 30.036 18.121 1.00 20.00 H new ATOM 0 HD3 LYS A 55 18.119 30.519 18.610 1.00 20.00 H new ATOM 0 HE2 LYS A 55 20.002 32.289 16.988 1.00 20.00 H new ATOM 0 HE3 LYS A 55 18.780 31.256 16.275 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 17.999 33.506 16.505 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 17.085 32.468 17.491 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 18.269 33.470 18.181 1.00 20.00 H new ATOM 273 N GLU A 56 18.826 27.983 19.965 1.00 20.00 N ATOM 274 CA GLU A 56 18.905 26.588 19.535 1.00 20.00 C ATOM 275 C GLU A 56 19.781 26.481 18.273 1.00 20.00 C ATOM 276 O GLU A 56 19.948 27.455 17.537 1.00 20.00 O ATOM 277 CB GLU A 56 17.471 26.076 19.301 1.00 20.00 C ATOM 278 CG GLU A 56 17.372 24.588 18.942 1.00 20.00 C ATOM 279 CD GLU A 56 15.926 24.098 19.026 1.00 20.00 C ATOM 280 OE1 GLU A 56 15.163 24.379 18.076 1.00 20.00 O ATOM 281 OE2 GLU A 56 15.595 23.444 20.040 1.00 20.00 O ATOM 0 H GLU A 56 18.739 28.625 19.177 1.00 20.00 H new ATOM 0 HA GLU A 56 19.373 25.966 20.298 1.00 20.00 H new ATOM 0 HB2 GLU A 56 16.883 26.259 20.201 1.00 20.00 H new ATOM 0 HB3 GLU A 56 17.017 26.660 18.500 1.00 20.00 H new ATOM 0 HG2 GLU A 56 17.756 24.427 17.935 1.00 20.00 H new ATOM 0 HG3 GLU A 56 17.997 24.005 19.618 1.00 20.00 H new ATOM 288 N LEU A 57 20.326 25.282 18.021 1.00 20.00 N ATOM 289 CA LEU A 57 21.177 24.938 16.877 1.00 20.00 C ATOM 290 C LEU A 57 20.709 23.618 16.248 1.00 20.00 C ATOM 291 O LEU A 57 19.732 23.019 16.697 1.00 20.00 O ATOM 292 CB LEU A 57 22.652 24.885 17.337 1.00 20.00 C ATOM 293 CG LEU A 57 23.253 26.279 17.628 1.00 20.00 C ATOM 294 CD1 LEU A 57 24.642 26.140 18.258 1.00 20.00 C ATOM 295 CD2 LEU A 57 23.381 27.161 16.378 1.00 20.00 C ATOM 0 H LEU A 57 20.176 24.487 18.642 1.00 20.00 H new ATOM 0 HA LEU A 57 21.097 25.702 16.104 1.00 20.00 H new ATOM 0 HB2 LEU A 57 22.723 24.272 18.235 1.00 20.00 H new ATOM 0 HB3 LEU A 57 23.248 24.394 16.568 1.00 20.00 H new ATOM 0 HG LEU A 57 22.556 26.763 18.313 1.00 20.00 H new ATOM 0 HD11 LEU A 57 25.052 27.130 18.457 1.00 20.00 H new ATOM 0 HD12 LEU A 57 24.564 25.585 19.193 1.00 20.00 H new ATOM 0 HD13 LEU A 57 25.300 25.606 17.573 1.00 20.00 H new ATOM 0 HD21 LEU A 57 23.810 28.124 16.655 1.00 20.00 H new ATOM 0 HD22 LEU A 57 24.029 26.671 15.652 1.00 20.00 H new ATOM 0 HD23 LEU A 57 22.395 27.315 15.939 1.00 20.00 H new ATOM 307 N GLN A 58 21.406 23.180 15.191 1.00 20.00 N ATOM 308 CA GLN A 58 21.139 21.935 14.472 1.00 20.00 C ATOM 309 C GLN A 58 22.339 20.983 14.493 1.00 20.00 C ATOM 310 O GLN A 58 22.152 19.775 14.642 1.00 20.00 O ATOM 311 CB GLN A 58 20.641 22.245 13.051 1.00 20.00 C ATOM 312 CG GLN A 58 21.649 22.949 12.125 1.00 20.00 C ATOM 313 CD GLN A 58 21.050 23.208 10.742 1.00 20.00 C ATOM 314 OE1 GLN A 58 21.206 22.399 9.832 1.00 20.00 O ATOM 315 NE2 GLN A 58 20.367 24.338 10.570 1.00 20.00 N ATOM 0 H GLN A 58 22.194 23.700 14.804 1.00 20.00 H new ATOM 0 HA GLN A 58 20.344 21.400 14.991 1.00 20.00 H new ATOM 0 HB2 GLN A 58 20.337 21.310 12.581 1.00 20.00 H new ATOM 0 HB3 GLN A 58 19.750 22.868 13.127 1.00 20.00 H new ATOM 0 HG2 GLN A 58 21.958 23.894 12.572 1.00 20.00 H new ATOM 0 HG3 GLN A 58 22.545 22.336 12.026 1.00 20.00 H new ATOM 0 HE21 GLN A 58 20.255 24.990 11.347 1.00 20.00 H new ATOM 0 HE22 GLN A 58 19.955 24.552 9.662 1.00 20.00 H new ATOM 324 N ALA A 59 23.562 21.521 14.396 1.00 20.00 N ATOM 325 CA ALA A 59 24.800 20.763 14.535 1.00 20.00 C ATOM 326 C ALA A 59 25.118 20.492 16.012 1.00 20.00 C ATOM 327 O ALA A 59 25.488 19.369 16.354 1.00 20.00 O ATOM 328 CB ALA A 59 25.949 21.523 13.864 1.00 20.00 C ATOM 0 H ALA A 59 23.715 22.513 14.215 1.00 20.00 H new ATOM 0 HA ALA A 59 24.676 19.799 14.042 1.00 20.00 H new ATOM 0 HB1 ALA A 59 26.873 20.954 13.970 1.00 20.00 H new ATOM 0 HB2 ALA A 59 25.726 21.659 12.806 1.00 20.00 H new ATOM 0 HB3 ALA A 59 26.067 22.497 14.338 1.00 20.00 H new ATOM 334 N GLU A 60 24.977 21.507 16.882 1.00 20.00 N ATOM 335 CA GLU A 60 25.369 21.410 18.288 1.00 20.00 C ATOM 336 C GLU A 60 24.241 20.877 19.186 1.00 20.00 C ATOM 337 O GLU A 60 24.512 20.437 20.301 1.00 20.00 O ATOM 338 CB GLU A 60 25.848 22.788 18.770 1.00 20.00 C ATOM 339 CG GLU A 60 26.858 22.699 19.924 1.00 20.00 C ATOM 340 CD GLU A 60 28.270 22.354 19.449 1.00 20.00 C ATOM 341 OE1 GLU A 60 28.602 21.150 19.439 1.00 20.00 O ATOM 342 OE2 GLU A 60 29.007 23.306 19.102 1.00 20.00 O ATOM 0 H GLU A 60 24.588 22.414 16.625 1.00 20.00 H new ATOM 0 HA GLU A 60 26.180 20.686 18.362 1.00 20.00 H new ATOM 0 HB2 GLU A 60 26.303 23.321 17.935 1.00 20.00 H new ATOM 0 HB3 GLU A 60 24.987 23.374 19.091 1.00 20.00 H new ATOM 0 HG2 GLU A 60 26.880 23.650 20.456 1.00 20.00 H new ATOM 0 HG3 GLU A 60 26.524 21.944 20.636 1.00 20.00 H new ATOM 349 N SER A 61 22.986 20.870 18.711 1.00 20.00 N ATOM 350 CA SER A 61 21.881 20.228 19.418 1.00 20.00 C ATOM 351 C SER A 61 21.986 18.694 19.374 1.00 20.00 C ATOM 352 O SER A 61 21.470 18.027 20.268 1.00 20.00 O ATOM 353 CB SER A 61 20.540 20.682 18.833 1.00 20.00 C ATOM 354 OG SER A 61 20.408 20.275 17.483 1.00 20.00 O ATOM 0 H SER A 61 22.716 21.308 17.831 1.00 20.00 H new ATOM 0 HA SER A 61 21.940 20.533 20.463 1.00 20.00 H new ATOM 0 HB2 SER A 61 19.723 20.266 19.423 1.00 20.00 H new ATOM 0 HB3 SER A 61 20.460 21.767 18.898 1.00 20.00 H new ATOM 0 HG SER A 61 20.027 21.008 16.956 1.00 20.00 H new ATOM 360 N ALA A 62 22.684 18.135 18.372 1.00 20.00 N ATOM 361 CA ALA A 62 23.028 16.719 18.301 1.00 20.00 C ATOM 362 C ALA A 62 24.159 16.354 19.277 1.00 20.00 C ATOM 363 O ALA A 62 24.237 15.201 19.701 1.00 20.00 O ATOM 364 CB ALA A 62 23.426 16.369 16.865 1.00 20.00 C ATOM 0 H ALA A 62 23.029 18.672 17.576 1.00 20.00 H new ATOM 0 HA ALA A 62 22.154 16.138 18.594 1.00 20.00 H new ATOM 0 HB1 ALA A 62 23.684 15.312 16.806 1.00 20.00 H new ATOM 0 HB2 ALA A 62 22.591 16.576 16.195 1.00 20.00 H new ATOM 0 HB3 ALA A 62 24.286 16.969 16.569 1.00 20.00 H new ATOM 370 N SER A 63 25.008 17.324 19.661 1.00 20.00 N ATOM 371 CA SER A 63 26.060 17.147 20.663 1.00 20.00 C ATOM 372 C SER A 63 25.483 17.006 22.078 1.00 20.00 C ATOM 373 O SER A 63 26.075 16.305 22.897 1.00 20.00 O ATOM 374 CB SER A 63 27.050 18.317 20.617 1.00 20.00 C ATOM 375 OG SER A 63 27.568 18.516 19.313 1.00 20.00 O ATOM 0 H SER A 63 24.977 18.267 19.274 1.00 20.00 H new ATOM 0 HA SER A 63 26.584 16.223 20.421 1.00 20.00 H new ATOM 0 HB2 SER A 63 26.553 19.227 20.954 1.00 20.00 H new ATOM 0 HB3 SER A 63 27.870 18.127 21.309 1.00 20.00 H new ATOM 0 HG SER A 63 27.955 19.414 19.248 1.00 20.00 H new ATOM 381 N CYS A 64 24.313 17.611 22.346 1.00 20.00 N ATOM 382 CA CYS A 64 23.465 17.266 23.482 1.00 20.00 C ATOM 383 C CYS A 64 22.928 15.839 23.301 1.00 20.00 C ATOM 384 O CYS A 64 23.186 14.972 24.136 1.00 20.00 O ATOM 385 CB CYS A 64 22.276 18.229 23.585 1.00 20.00 C ATOM 386 SG CYS A 64 22.552 19.851 24.318 1.00 20.00 S ATOM 0 H CYS A 64 23.932 18.361 21.769 1.00 20.00 H new ATOM 0 HA CYS A 64 24.061 17.337 24.392 1.00 20.00 H new ATOM 0 HB2 CYS A 64 21.883 18.381 22.580 1.00 20.00 H new ATOM 0 HB3 CYS A 64 21.495 17.732 24.161 1.00 20.00 H new ATOM 391 N GLY A 65 22.183 15.618 22.205 1.00 20.00 N ATOM 392 CA GLY A 65 21.512 14.373 21.870 1.00 20.00 C ATOM 393 C GLY A 65 20.085 14.654 21.424 1.00 20.00 C ATOM 394 O GLY A 65 19.834 14.992 20.268 1.00 20.00 O ATOM 0 H GLY A 65 22.032 16.342 21.503 1.00 20.00 H new ATOM 0 HA2 GLY A 65 22.055 13.860 21.077 1.00 20.00 H new ATOM 0 HA3 GLY A 65 21.507 13.709 22.734 1.00 20.00 H new ATOM 398 N LYS A 66 19.168 14.473 22.372 1.00 20.00 N ATOM 399 CA LYS A 66 17.724 14.590 22.244 1.00 20.00 C ATOM 400 C LYS A 66 17.097 15.184 23.514 1.00 20.00 C ATOM 401 O LYS A 66 17.685 15.134 24.595 1.00 20.00 O ATOM 402 CB LYS A 66 17.132 13.210 21.905 1.00 20.00 C ATOM 403 CG LYS A 66 17.457 12.056 22.877 1.00 20.00 C ATOM 404 CD LYS A 66 18.735 11.283 22.507 1.00 20.00 C ATOM 405 CE LYS A 66 19.015 10.199 23.547 1.00 20.00 C ATOM 406 NZ LYS A 66 20.322 9.556 23.311 1.00 20.00 N ATOM 0 H LYS A 66 19.441 14.221 23.322 1.00 20.00 H new ATOM 0 HA LYS A 66 17.490 15.279 21.433 1.00 20.00 H new ATOM 0 HB2 LYS A 66 16.048 13.310 21.847 1.00 20.00 H new ATOM 0 HB3 LYS A 66 17.480 12.926 20.912 1.00 20.00 H new ATOM 0 HG2 LYS A 66 17.565 12.459 23.884 1.00 20.00 H new ATOM 0 HG3 LYS A 66 16.616 11.363 22.899 1.00 20.00 H new ATOM 0 HD2 LYS A 66 18.623 10.831 21.521 1.00 20.00 H new ATOM 0 HD3 LYS A 66 19.580 11.969 22.449 1.00 20.00 H new ATOM 0 HE2 LYS A 66 18.997 10.636 24.545 1.00 20.00 H new ATOM 0 HE3 LYS A 66 18.226 9.448 23.514 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 20.484 8.825 24.032 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 20.329 9.119 22.367 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 21.076 10.271 23.367 1.00 20.00 H new ATOM 420 N GLY A 67 15.890 15.753 23.372 1.00 20.00 N ATOM 421 CA GLY A 67 15.160 16.441 24.438 1.00 20.00 C ATOM 422 C GLY A 67 15.840 17.725 24.941 1.00 20.00 C ATOM 423 O GLY A 67 15.443 18.247 25.981 1.00 20.00 O ATOM 0 H GLY A 67 15.384 15.745 22.486 1.00 20.00 H new ATOM 0 HA2 GLY A 67 14.162 16.689 24.078 1.00 20.00 H new ATOM 0 HA3 GLY A 67 15.035 15.757 25.277 1.00 20.00 H new ATOM 427 N GLN A 68 16.881 18.200 24.241 1.00 20.00 N ATOM 428 CA GLN A 68 17.817 19.230 24.686 1.00 20.00 C ATOM 429 C GLN A 68 18.279 20.096 23.500 1.00 20.00 C ATOM 430 O GLN A 68 17.985 19.801 22.341 1.00 20.00 O ATOM 431 CB GLN A 68 19.029 18.540 25.339 1.00 20.00 C ATOM 432 CG GLN A 68 18.735 17.887 26.696 1.00 20.00 C ATOM 433 CD GLN A 68 20.004 17.293 27.308 1.00 20.00 C ATOM 434 OE1 GLN A 68 20.629 16.405 26.731 1.00 20.00 O ATOM 435 NE2 GLN A 68 20.401 17.776 28.485 1.00 20.00 N ATOM 0 H GLN A 68 17.099 17.857 23.306 1.00 20.00 H new ATOM 0 HA GLN A 68 17.323 19.883 25.406 1.00 20.00 H new ATOM 0 HB2 GLN A 68 19.408 17.778 24.658 1.00 20.00 H new ATOM 0 HB3 GLN A 68 19.823 19.275 25.468 1.00 20.00 H new ATOM 0 HG2 GLN A 68 18.312 18.627 27.375 1.00 20.00 H new ATOM 0 HG3 GLN A 68 17.987 17.104 26.572 1.00 20.00 H new ATOM 0 HE21 GLN A 68 19.863 18.513 28.941 1.00 20.00 H new ATOM 0 HE22 GLN A 68 21.243 17.409 28.929 1.00 20.00 H new ATOM 444 N LYS A 69 19.024 21.168 23.805 1.00 20.00 N ATOM 445 CA LYS A 69 19.616 22.106 22.850 1.00 20.00 C ATOM 446 C LYS A 69 20.859 22.779 23.452 1.00 20.00 C ATOM 447 O LYS A 69 20.996 22.851 24.673 1.00 20.00 O ATOM 448 CB LYS A 69 18.567 23.160 22.446 1.00 20.00 C ATOM 449 CG LYS A 69 17.936 23.911 23.632 1.00 20.00 C ATOM 450 CD LYS A 69 16.925 24.953 23.133 1.00 20.00 C ATOM 451 CE LYS A 69 16.396 25.840 24.264 1.00 20.00 C ATOM 452 NZ LYS A 69 17.412 26.798 24.727 1.00 20.00 N ATOM 0 H LYS A 69 19.238 21.413 24.772 1.00 20.00 H new ATOM 0 HA LYS A 69 19.930 21.559 21.961 1.00 20.00 H new ATOM 0 HB2 LYS A 69 19.035 23.885 21.779 1.00 20.00 H new ATOM 0 HB3 LYS A 69 17.776 22.670 21.879 1.00 20.00 H new ATOM 0 HG2 LYS A 69 17.440 23.203 24.296 1.00 20.00 H new ATOM 0 HG3 LYS A 69 18.715 24.402 24.215 1.00 20.00 H new ATOM 0 HD2 LYS A 69 17.396 25.578 22.374 1.00 20.00 H new ATOM 0 HD3 LYS A 69 16.089 24.444 22.653 1.00 20.00 H new ATOM 0 HE2 LYS A 69 15.515 26.382 23.919 1.00 20.00 H new ATOM 0 HE3 LYS A 69 16.079 25.215 25.099 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 16.952 27.556 25.271 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 18.102 26.307 25.331 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 17.901 27.209 23.906 1.00 20.00 H new ATOM 466 N CYS A 70 21.740 23.324 22.601 1.00 20.00 N ATOM 467 CA CYS A 70 22.836 24.183 23.051 1.00 20.00 C ATOM 468 C CYS A 70 22.302 25.577 23.431 1.00 20.00 C ATOM 469 O CYS A 70 21.168 25.926 23.098 1.00 20.00 O ATOM 470 CB CYS A 70 23.928 24.258 21.972 1.00 20.00 C ATOM 471 SG CYS A 70 25.535 24.815 22.624 1.00 20.00 S ATOM 0 H CYS A 70 21.711 23.182 21.591 1.00 20.00 H new ATOM 0 HA CYS A 70 23.287 23.753 23.945 1.00 20.00 H new ATOM 0 HB2 CYS A 70 24.048 23.276 21.515 1.00 20.00 H new ATOM 0 HB3 CYS A 70 23.606 24.939 21.184 1.00 20.00 H new ATOM 476 N CYS A 71 23.130 26.380 24.113 1.00 20.00 N ATOM 477 CA CYS A 71 22.830 27.753 24.502 1.00 20.00 C ATOM 478 C CYS A 71 24.077 28.629 24.345 1.00 20.00 C ATOM 479 O CYS A 71 25.184 28.200 24.673 1.00 20.00 O ATOM 480 CB CYS A 71 22.320 27.751 25.949 1.00 20.00 C ATOM 481 SG CYS A 71 22.017 29.379 26.687 1.00 20.00 S ATOM 0 H CYS A 71 24.055 26.076 24.416 1.00 20.00 H new ATOM 0 HA CYS A 71 22.057 28.170 23.857 1.00 20.00 H new ATOM 0 HB2 CYS A 71 21.393 27.179 25.986 1.00 20.00 H new ATOM 0 HB3 CYS A 71 23.045 27.223 26.568 1.00 20.00 H new ATOM 486 N VAL A 72 23.878 29.865 23.861 1.00 20.00 N ATOM 487 CA VAL A 72 24.921 30.877 23.676 1.00 20.00 C ATOM 488 C VAL A 72 25.508 31.325 25.025 1.00 20.00 C ATOM 489 O VAL A 72 24.865 31.204 26.069 1.00 20.00 O ATOM 490 CB VAL A 72 24.381 32.091 22.881 1.00 20.00 C ATOM 491 CG1 VAL A 72 23.768 31.687 21.531 1.00 20.00 C ATOM 492 CG2 VAL A 72 23.341 32.908 23.663 1.00 20.00 C ATOM 0 H VAL A 72 22.955 30.195 23.579 1.00 20.00 H new ATOM 0 HA VAL A 72 25.724 30.422 23.096 1.00 20.00 H new ATOM 0 HB VAL A 72 25.259 32.713 22.707 1.00 20.00 H new ATOM 0 HG11 VAL A 72 23.405 32.576 21.015 1.00 20.00 H new ATOM 0 HG12 VAL A 72 24.526 31.197 20.920 1.00 20.00 H new ATOM 0 HG13 VAL A 72 22.938 31.001 21.699 1.00 20.00 H new ATOM 0 HG21 VAL A 72 23.001 33.744 23.052 1.00 20.00 H new ATOM 0 HG22 VAL A 72 22.491 32.272 23.912 1.00 20.00 H new ATOM 0 HG23 VAL A 72 23.791 33.288 24.580 1.00 20.00 H new ATOM 502 N TRP A 73 26.723 31.887 24.986 1.00 20.00 N ATOM 503 CA TRP A 73 27.447 32.387 26.148 1.00 20.00 C ATOM 504 C TRP A 73 27.032 33.823 26.510 1.00 20.00 C ATOM 505 O TRP A 73 27.153 34.211 27.672 1.00 20.00 O ATOM 506 CB TRP A 73 28.949 32.308 25.840 1.00 20.00 C ATOM 507 CG TRP A 73 29.386 33.002 24.581 1.00 20.00 C ATOM 508 CD1 TRP A 73 29.540 32.421 23.370 1.00 20.00 C ATOM 509 CD2 TRP A 73 29.698 34.409 24.381 1.00 20.00 C ATOM 510 NE1 TRP A 73 29.915 33.373 22.441 1.00 20.00 N ATOM 511 CE2 TRP A 73 30.033 34.622 23.014 1.00 20.00 C ATOM 512 CE3 TRP A 73 29.710 35.541 25.227 1.00 20.00 C ATOM 513 CZ2 TRP A 73 30.382 35.887 22.513 1.00 20.00 C ATOM 514 CZ3 TRP A 73 30.063 36.810 24.743 1.00 20.00 C ATOM 515 CH2 TRP A 73 30.408 36.984 23.388 1.00 20.00 C ATOM 0 H TRP A 73 27.240 32.007 24.115 1.00 20.00 H new ATOM 0 HA TRP A 73 27.206 31.773 27.016 1.00 20.00 H new ATOM 0 HB2 TRP A 73 29.498 32.735 26.679 1.00 20.00 H new ATOM 0 HB3 TRP A 73 29.234 31.258 25.774 1.00 20.00 H new ATOM 0 HD1 TRP A 73 29.392 31.372 23.160 1.00 20.00 H new ATOM 0 HE1 TRP A 73 30.084 33.176 21.454 1.00 20.00 H new ATOM 0 HE3 TRP A 73 29.442 35.427 26.267 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 30.627 36.014 21.469 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 30.070 37.657 25.412 1.00 20.00 H new ATOM 0 HH2 TRP A 73 30.692 37.960 23.023 1.00 20.00 H new ATOM 526 N LEU A 74 26.549 34.605 25.530 1.00 20.00 N ATOM 527 CA LEU A 74 26.146 36.000 25.699 1.00 20.00 C ATOM 528 C LEU A 74 24.783 36.124 26.397 1.00 20.00 C ATOM 529 O LEU A 74 24.057 35.141 26.553 1.00 20.00 O ATOM 530 CB LEU A 74 26.223 36.739 24.345 1.00 20.00 C ATOM 531 CG LEU A 74 25.416 36.157 23.163 1.00 20.00 C ATOM 532 CD1 LEU A 74 23.914 36.454 23.246 1.00 20.00 C ATOM 533 CD2 LEU A 74 25.932 36.757 21.848 1.00 20.00 C ATOM 0 H LEU A 74 26.427 34.269 24.575 1.00 20.00 H new ATOM 0 HA LEU A 74 26.848 36.494 26.371 1.00 20.00 H new ATOM 0 HB2 LEU A 74 25.892 37.765 24.504 1.00 20.00 H new ATOM 0 HB3 LEU A 74 27.270 36.784 24.046 1.00 20.00 H new ATOM 0 HG LEU A 74 25.552 35.076 23.205 1.00 20.00 H new ATOM 0 HD11 LEU A 74 23.408 36.017 22.385 1.00 20.00 H new ATOM 0 HD12 LEU A 74 23.508 36.024 24.162 1.00 20.00 H new ATOM 0 HD13 LEU A 74 23.756 37.532 23.250 1.00 20.00 H new ATOM 0 HD21 LEU A 74 25.363 36.347 21.013 1.00 20.00 H new ATOM 0 HD22 LEU A 74 25.813 37.840 21.871 1.00 20.00 H new ATOM 0 HD23 LEU A 74 26.987 36.510 21.725 1.00 20.00 H new ATOM 545 N HIS A 75 24.438 37.348 26.818 1.00 20.00 N ATOM 546 CA HIS A 75 23.171 37.666 27.473 1.00 20.00 C ATOM 547 C HIS A 75 22.027 37.829 26.460 1.00 20.00 C ATOM 548 O HIS A 75 20.907 37.385 26.795 1.00 20.00 O ATOM 549 CB HIS A 75 23.335 38.894 28.384 1.00 20.00 C ATOM 550 CG HIS A 75 23.325 40.239 27.697 1.00 20.00 C ATOM 551 ND1 HIS A 75 22.440 41.263 27.974 1.00 20.00 N ATOM 552 CD2 HIS A 75 24.183 40.672 26.723 1.00 20.00 C ATOM 553 CE1 HIS A 75 22.753 42.300 27.176 1.00 20.00 C ATOM 554 NE2 HIS A 75 23.807 41.963 26.406 1.00 20.00 N ATOM 555 OXT HIS A 75 22.271 38.395 25.371 1.00 20.00 O ATOM 0 H HIS A 75 25.047 38.159 26.709 1.00 20.00 H new ATOM 0 HA HIS A 75 22.890 36.823 28.105 1.00 20.00 H new ATOM 0 HB2 HIS A 75 22.535 38.881 29.124 1.00 20.00 H new ATOM 0 HB3 HIS A 75 24.274 38.794 28.928 1.00 20.00 H new ATOM 0 HD2 HIS A 75 24.997 40.112 26.286 1.00 20.00 H new ATOM 0 HE1 HIS A 75 22.241 43.251 27.156 1.00 20.00 H new ATOM 0 HE2 HIS A 75 24.251 42.560 25.708 1.00 20.00 H new TER 564 HIS A 75